2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C20H18N4O4S2 — CID 43952711

IUPAC2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(-c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)o2)c1
InChIInChI=1S/C20H18N4O4S2/c1-11-4-6-14-16(8-11)30-19(21-14)22-17(25)10-29-20-24-23-18(28-20)13-9-12(26-2)5-7-15(13)27-3/h4-9H,10H2,1-3H3,(H,21,22,25)
InChIKeyBQNBKPLHVGSSTG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.40
Rot. Bonds7

About 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43952711) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43952711
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(-c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)o2)c1
InChIInChI=1S/C20H18N4O4S2/c1-11-4-6-14-16(8-11)30-19(21-14)22-17(25)10-29-20-24-23-18(28-20)13-9-12(26-2)5-7-15(13)27-3/h4-9H,10H2,1-3H3,(H,21,22,25)
InChIKeyBQNBKPLHVGSSTG-UHFFFAOYSA-N
XLogP4.40
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3940860
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 43952703
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5038708
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4648151
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3985125
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4259947
3-methoxy-N-[3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912871
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3148814
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177310506
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1378932
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5107036
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 43952699

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 43952711) is 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(OC)c(-c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)o2)c1.
What is the InChIKey of 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BQNBKPLHVGSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-11-4-6-14-16(8-11)30-19(21-14)22-17(25)10-29-20-24-23-18(28-20)13-9-12(26-2)5-7-15(13)27-3/h4-9H,10H2,1-3H3,(H,21,22,25).
What are the key properties of 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).